Search results for "Homonuclear molecule"
showing 10 items of 19 documents
High-frequency EPR study on Cu4Cu- and Co4Co-metallacrown complexes
2019
Abstract High-frequency/high-field electron paramagnetic resonance studies on two homonuclear 12-MC-4 metallacrown complexes Cu4Cu and Co4Co are presented. For Cu4Cu, our data imply axial-type g-anisotropy with g x = 2.03 ± 0.01 , g y = 2.04 ± 0.01 , and g z = 2.23 ± 0.01 , yielding g = 2.10 ± 0.02 . No significant zero field splitting (ZFS) of the ground state mode is observed. In Co4Co, we find a m S = ± 3 / 2 ground state with g = 2.66 . The data suggest large anisotropy D of negative sign.
Reorientations and translations in a fragile glass-former: magnetic resonance studies of meta-fluoroaniline
1999
Abstract The rotational dynamics in supercooled liquid and glassy meta-fluoroaniline was studied using proton and fluorine spin-lattice relaxation times. It is shown that while proton relaxation is dominated by homonuclear relaxation, for fluorine heteronuclear relaxation prevails. The results could be well described using a distribution of correlation times. The mean correlation times show pronounced deviations from the simple Arrhenius law. In addition translational self-diffusion coefficients were measured for T>200 K using a static magnetic field gradient technique.
Magnetic exchange interaction in clusters of orbitally degenerate ions. I. Effective Hamiltonian
2001
Abstract A new effective Hamiltonian is reported for the kinetic exchange between two arbitrary terms 2S A +1 Λ A and 2S B +1 Λ B that can be ground or excited in octahedrally coordinated transition metal ions. This Hamiltonian is applicable to both homo- and heterometallic clusters. For the homonuclear cluster the resonance part of the effective Hamiltonian is also presented for the case when one of the ions is excited. The operator part of the exchange Hamiltonian contains symmetry adapted products of the cubic irreducible tensors acting in orbital spaces ΛA and ΛB and scalar product of site spin operators. The parameters of the Hamiltonian are defined by the relevant intercenter transfer…
Study of electrostatic potential surface distribution of wild-type plastocyaninSynechocystissolution structure determined by homonuclear NMR
2003
Plastocyanin is a small (∼10 kDa), type I blue copper protein that works as an electron donor to photosystem I from cytochrome f in both chloroplast systems and in some strains of cyanobacteria. Comparative studies of the kinetic mechanisms of plastocyanins in different organisms show that the electron transfer from photosystem I happens by simple collision in cyanobacteria but through a intermediate transition complex in green algae and superior plants. Previous work has proved that this effect cannot be explained by structural variations across the different plastocyanins but it can be explained by differences in the electrostatic potential distribution at the protein surface. In that cas…
Rescattering and vibrations in homonuclear diatomic molecules in a strong electromagnetic field
2009
Abstract The electron of a H 2 + driven by a strong electromagnetic field induces molecular vibrations. Numerical and analytical results show that the molecule behaves as a parametric oscillator and can be treated as a kicked oscillator. The results are discussed from the point of view of the electron's periodic dressing and undressing processes.
Jenisseensosides C and D, biologically active acylated triterpene saponins from Silene jenisseensis
1997
Abstract We previously reported the isolation and structure elucidation of a new trans - p -methoxycinnamoyl triterpene-saponin along with its cis - p -methoxycinnamoyl isomer as an inseparable mixture from the roots of Silene jenisseensis . In a continuing study on this plant, two additional new acylated triterpene-saponins were obtained as an inseparable mixture. Their structures have been established by chemical means and spectroscopic methods including 1D and 2D homonuclear and heteronuclear correlation NMR spectroscopy as 3- O -[β- d -galactopyranosyl-(1 → 2)-β- d -glucuronopyranosyl]-28- O -[{α- l -rhamnopyranosyl-(1 → 2)}- {4- O - trans - p -methoxycinnamoyl}-β- d -fucopyranosyl] qui…
Plasmon Excitations in Mixed Metallic Nanoarrays
2019
Features of the surface plasmon from macroscopic materials emerge in molecular systems, but differentiating collective excitations from single-particle excitations in molecular systems remains elusive. The rich interactions between single-particle electron-hole and collective electron excitations produce phenomena related to the chemical physics aspects within the atomic array. We study the plasmonic properties of atomic arrays of noble (Au, Ag, and Cu) and transition-metal (Pd, Pt) homonuclear chains using time-dependent density functional theory and their Kohn-Sham transition contributions. The response to the electromagnetic radiation is related to both the geometry-dependent confinement…
Expanding the 2, 2’-bipyrimidine bridged 1D homonuclear coordination polymers family: [MIIbpymCl2] (M=Fe, Co) magnetic and structural characterization
2013
One pot reaction of hydrated chloride salts of Fe(II) and Co(II) with stoichiometric amounts of 2, 2’-bipyrimidine (bpym) in a methanol/ acetonitrile mixture afforded the corresponding 1D homonuclear coordination polymers, [μ-(bpym)MCl2]n. Crystal structures of both complexes are isomorphous in the highly symmetric orthorhombic space group Fddd. The 1D coordination polymers are composed of almost orthogonal alternating bipyrimidine bridges linking the {MCl2} units. The magnetic behaviour of the Fe(II)compound can be well understood as a uniform S=2 chain with antiferromagnetic exchange interaction between metal ion sites. In the case of the Co(II) ion, also an antiferromagnetic interaction …
Simple modeling of dipolar coupled 7Li spins and stimulated-echo spectroscopy of single-crystalline β-eucryptite
2004
Abstract Stimulated-echo spectroscopy has recently been applied to study the ultra-slow dynamics of nuclear spin-3/2 probes such as 7 Li and 9 Be in solids. Apart from the dominant first-order quadrupolar interaction in the present article also the impact of the homonuclear dipolar interactions is considered in a simple way: the time evolution of a dipole coupled pair of spins with I =3/2 is calculated in an approximation, which takes into account that the satellite transitions usually do not overlap. Explicit analytical expressions describing various aspects of a coupled quadrupolar pair subjected to a Jeener–Broekaert pulse sequence are derived. Extensions to larger spin systems are also …
THE KINETICS AND MECHANISM OF THE REACTION OF ONIUM CYCLOPENTADIENYLIDES WITH TETRAHALO-p-BENZOQUINONES
1989
Abstract The reaction of triphenylphosphonium cyclopentadienylide (1) with halogen-substituted p-benzoquinones (4) is shown to give a new class of dipolar (zwitterionic) dyes (5) containing phosphorus. The general structure of these molecules has been investigated by a combination of mass spectrometry and multinuclear (7H, 13C and 31P) nmr using the specialist techniques of DEFT spectroscopy, homonuclear (COSY) and heteronuclear 2-D nmr. In addition, stopped-flow (uv/visible) techniques have been used to study the kinetics of the reactions and hence demonstrate that the rate-limiting step is nucleophilic addition of the ylid nucleophile to the quinone, followed by a rapid loss of halide ion…